Match Partial charge 5
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run spack_intel-2022a_impi_omp >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 4.867000000000000e+00 | 4.867000000000000e+00 | 2.430000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)